cyclohexane butane
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 811.59 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 821.51 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 176.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 209.98 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.57 | J mol-1 K-1 |
| Rotational | 130.10 | J mol-1 K-1 |
| Vibrational | 211.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 512.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -261.89 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.33 eV View
- 3 -300.30 eV View
- 4 -300.29 eV View
- 5 -300.29 eV View
- 6 -300.28 eV View
- 7 -300.28 eV View
- 8 -300.23 eV View
- 9 -300.16 eV View
- 10 -300.15 eV View
- 11 -29.29 eV View
- 12 -28.14 eV View
- 13 -26.16 eV View
- 14 -26.15 eV View
- 15 -25.66 eV View
- 16 -22.33 eV View
- 17 -21.46 eV View
- 18 -21.43 eV View
- 19 -20.48 eV View
- 20 -19.39 eV View
- 21 -16.80 eV View
- 22 -16.54 eV View
- 23 -15.47 eV View
- 24 -15.36 eV View
- 25 -15.33 eV View
- 26 -15.10 eV View
- 27 -14.78 eV View
- 28 -14.56 eV View
- 29 -13.30 eV View
- 30 -13.26 eV View
- 31 -13.15 eV View
- 32 -12.95 eV View
- 33 -12.53 eV View
- 34 -12.27 eV View
- 35 -12.12 eV View
- 36 -11.77 eV View
- 37 -11.46 eV View
- 38 -11.28 eV View
- 39 -10.87 eV View
- 40 -10.42 eV View
- 41 -10.40 eV View
- 42 14.66 eV View
- 43 15.96 eV View
- 44 16.32 eV View
- 45 16.53 eV View
- 46 16.58 eV View
- 47 16.87 eV View
- 48 17.49 eV View
- 49 17.84 eV View
- 50 18.18 eV View
- 51 18.26 eV View
- 52 18.42 eV View
- 53 19.14 eV View
- 54 19.15 eV View
- 55 19.59 eV View
- 56 19.91 eV View
- 57 20.18 eV View
- 58 20.37 eV View
- 59 20.42 eV View
- 60 20.69 eV View
- 61 20.85 eV View
- 62 21.14 eV View
- 63 21.31 eV View
- 64 21.45 eV View
- 65 21.57 eV View
- 66 21.75 eV View
- 67 21.88 eV View
- 68 22.12 eV View
- 69 22.34 eV View
- 70 22.63 eV View
- 71 22.85 eV View
- 72 24.26 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 14.99 cm-1 View
- 2 24.95 cm-1 View
- 3 34.75 cm-1 View
- 4 54.57 cm-1 View
- 5 69.79 cm-1 View
- 6 98.36 cm-1 View
- 7 140.53 cm-1 View
- 8 187.90 cm-1 View
- 9 209.71 cm-1 View
- 10 215.76 cm-1 View
- 11 223.23 cm-1 View
- 12 311.04 cm-1 View
- 13 345.99 cm-1 View
- 14 457.28 cm-1 View
- 15 460.11 cm-1 View
- 16 478.11 cm-1 View
- 17 588.84 cm-1 View
- 18 786.24 cm-1 View
- 19 820.42 cm-1 View
- 20 830.59 cm-1 View
- 21 874.07 cm-1 View
- 22 913.74 cm-1 View
- 23 923.85 cm-1 View
- 24 929.00 cm-1 View
- 25 943.29 cm-1 View
- 26 956.24 cm-1 View
- 27 956.41 cm-1 View
- 28 965.45 cm-1 View
- 29 972.94 cm-1 View
- 30 1000.53 cm-1 View
- 31 1041.92 cm-1 View
- 32 1077.47 cm-1 View
- 33 1099.73 cm-1 View
- 34 1101.34 cm-1 View
- 35 1115.94 cm-1 View
- 36 1122.94 cm-1 View
- 37 1140.92 cm-1 View
- 38 1144.87 cm-1 View
- 39 1145.80 cm-1 View
- 40 1146.48 cm-1 View
- 41 1147.89 cm-1 View
- 42 1158.58 cm-1 View
- 43 1164.55 cm-1 View
- 44 1166.76 cm-1 View
- 45 1168.83 cm-1 View
- 46 1200.12 cm-1 View
- 47 1256.43 cm-1 View
- 48 1263.18 cm-1 View
- 49 1314.13 cm-1 View
- 50 1316.85 cm-1 View
- 51 1360.56 cm-1 View
- 52 1361.88 cm-1 View
- 53 1364.94 cm-1 View
- 54 1367.93 cm-1 View
- 55 1390.51 cm-1 View
- 56 1403.36 cm-1 View
- 57 1406.07 cm-1 View
- 58 1408.79 cm-1 View
- 59 1411.42 cm-1 View
- 60 1413.26 cm-1 View
- 61 1414.82 cm-1 View
- 62 1415.36 cm-1 View
- 63 1415.57 cm-1 View
- 64 1416.31 cm-1 View
- 65 1417.92 cm-1 View
- 66 1421.50 cm-1 View
- 67 1438.01 cm-1 View
- 68 1471.47 cm-1 View
- 69 2916.16 cm-1 View
- 70 2943.15 cm-1 View
- 71 2953.97 cm-1 View
- 72 2956.02 cm-1 View
- 73 2958.42 cm-1 View
- 74 2961.80 cm-1 View
- 75 2965.66 cm-1 View
- 76 2970.02 cm-1 View
- 77 3014.25 cm-1 View
- 78 3027.70 cm-1 View
- 79 3032.39 cm-1 View
- 80 3035.92 cm-1 View
- 81 3037.50 cm-1 View
- 82 3039.60 cm-1 View
- 83 3042.62 cm-1 View
- 84 3045.87 cm-1 View
- 85 3062.55 cm-1 View
- 86 3080.75 cm-1 View
- 87 3084.17 cm-1 View
- 88 3085.62 cm-1 View
- 89 3174.76 cm-1 View
- 90 3183.59 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 39.66 | kJ mol-1 |
| Polar Solvation Energy | -0.84 | kJ mol-1 |
| Nonpolar Solvation Energy | 40.46 | kJ mol-1 |
| Surface Area | 138.91 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.04 | Debye |